1,3-Bis(((E)-(9-ethyl-9H-carbazol-3-yl)methylene)amino)propan-2-ol: Synthesis, Characterization DFT Study, and Acetylcholinesterase Inhibitory Activity
Russian Journal of Physical Chemistry A, vol.97, no.5, pp.981-988, 2023 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 97 Issue: 5
- Publication Date: 2023
- Doi Number: 10.1134/s0036024423050096
- Journal Name: Russian Journal of Physical Chemistry A
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aquatic Science & Fisheries Abstracts (ASFA), Compendex
- Page Numbers: pp.981-988
- Keywords: acetylcholinesterase inhibitory activity, carbazole, DFT calculations, FTIR and NMR spectroscopy
- Ondokuz Mayıs University Affiliated: Yes
Abstract
Abstract: The carbazole derivative, 1,3-bis(((E)-(9-ethyl-9H-carbazol-3-yl)methylene)amino)propan-2-ol (compound I), was synthesized and its molecular structure was verified by FTIR and NMR (13C and 1H) spectroscopy. The theoretical study of compound I was carried out by DFT/B3LYP/6-311++G(d,p) method. In calculations, the molecular structure, IR and NMR data, MEP map and FMOs (HOMO and LUMO) of compound I were obtained. IR and NMR data were compared with experimental ones. Results show that theoretical data confirm the molecular structure of compound I. The in vitro anti-acetylcholinesterase activity of title compound was performed by Ellman’s spectrophotometric method with some modifications.